[(2R)-2-(azepan-1-ium-1-yl)-2-pyridin-4-yl-ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-pyridin-4-yl-ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-pyridyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-pyridin-4-ylethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-pyridin-4-ylethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-pyridyl)ethyl]ammonium Formula: C13H23N3+2 MolecularWeight: 221.34182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C[NH3+])C2=CC=NC=C2

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C[NH3+])C2=CC=NC=C2

InChI

InChI=1S/C13H21N3/c14-11-13(12-5-7-15-8-6-12)16-9-3-1-2-4-10-16/h5-8,13H,1-4,9-11,14H2/p+2/t13-/m0/s1